4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

C17H20N4O3S — CID 70787674

IUPAC4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H20N4O3S/c22-17(21-15-8-10-18-11-15)13-4-6-16(7-5-13)25(23,24)20-12-14-3-1-2-9-19-14/h1-7,9,15,18,20H,8,10-12H2,(H,21,22)/t15-/m0/s1
InChIKeyCQHYZEXNEDUOSZ-HNNXBMFYSA-N
MW360.44 g/mol
LogP0.65
Rot. Bonds6

About 4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 70787674) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID70787674
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H20N4O3S/c22-17(21-15-8-10-18-11-15)13-4-6-16(7-5-13)25(23,24)20-12-14-3-1-2-9-19-14/h1-7,9,15,18,20H,8,10-12H2,(H,21,22)/t15-/m0/s1
InChIKeyCQHYZEXNEDUOSZ-HNNXBMFYSA-N
XLogP0.65
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119426387
N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109059990
2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530815
4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40665030
4-[(2-fluorophenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119428717
4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119450353
N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109060879
3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 99928832
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703
4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428182
N-piperidin-3-ylbenzamide
CID 22017045
N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109059644

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 70787674) is 4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(N[C@H]1CCNC1)c1ccc(S(=O)(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is CQHYZEXNEDUOSZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c22-17(21-15-8-10-18-11-15)13-4-6-16(7-5-13)25(23,24)20-12-14-3-1-2-9-19-14/h1-7,9,15,18,20H,8,10-12H2,(H,21,22)/t15-/m0/s1.
What are the key properties of 4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 360.44 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 70787674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).